Geometry & MOs

Info

ID:	272041
PubChem CID:	103720301
Reduced:	NS2O3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-108.81
Dipole, Da:	3.07
IP(EA), eV:	-8.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-2-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=CS1)OC)(CSC)O

DOS

IR

Vibrations